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Compound Detail

CHEMBL2058381

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Cl.N[C@]1(C(=O)O)C[C@@]1(F)CS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2058381
Phase Preclinical
Structure Type MOL
InChI Key PQTHXGXNBISIRO-JBUOLDKXSA-N
Parent Compound CHEMBL2079097
Active Moiety CHEMBL2079097
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
-1.23
ALogP
4
HBA
3
HBD
117.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H9ClFNO5S
MW 249.65
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.49

Activity Summary

EC50 1 meas. best 4.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
 EC50 4.07 4.07 85600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 4 EC50 = 85600.0 nM 4.07 Agonist activity at rat mGlu4 receptor expressed in HEK293 cells coexpressing Gq... 22750138

Literature References

PubMed DOI Target Context # Activities
22750138 10.1016/j.bmc.2012.06.006 Metabotropic glutamate receptor 4 1

Data from ChEMBL 36 via Core Engine